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168847-16-3 | 2-Triphenylenol, 3-methoxy-6,7,10,11-tetrakis(pentyloxy)-
CAS No: 168847-16-3 Catalog No: AG001YC8 MDL No:
Product Description
Catalog Number:
AG001YC8
Chemical Name:
2-Triphenylenol, 3-methoxy-6,7,10,11-tetrakis(pentyloxy)-
CAS Number:
168847-16-3
Molecular Formula:
C39H54O6
Molecular Weight:
618.8425
IUPAC Name:
3-methoxy-6,7,10,11-tetrapentoxytriphenylen-2-ol
InChI:
InChI=1S/C39H54O6/c1-6-10-14-18-42-36-24-30-28-22-34(40)35(41-5)23-29(28)31-25-37(43-19-15-11-7-2)39(45-21-17-13-9-4)27-33(31)32(30)26-38(36)44-20-16-12-8-3/h22-27,40H,6-21H2,1-5H3
InChI Key:
WFXWUHRPYKGVDG-UHFFFAOYSA-N
SMILES:
CCCCCOc1cc2c3cc(OCCCCC)c(cc3c3c(c2cc1OCCCCC)cc(c(c3)O)OC)OCCCCC
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
618.392g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
618.855g/mol
Monoisotopic Mass:
618.392g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.5
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